Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ACE | P12821 | 7/20 | 0.42 |
| ▸ | MME | P08473 | 6/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9395167 | 0.84 | CYP1A2 (0.54) | MMECYP1A2 | |
| SCHEMBL9709303 | 0.84 | SIGMAR1 (0.44) | HPGDSIGMAR1MEN1KMT2ATRPA1 | |
| SCHEMBL13536392 | 0.84 | SIGMAR1 (0.44) | HPGDSIGMAR1MEN1KMT2ATRPA1 | |
| SCHEMBL9709395 | 0.84 | SIGMAR1 (0.44) | HPGDSIGMAR1MEN1KMT2ATRPA1 | |
| SCHEMBL13536363 | 0.84 | SIGMAR1 (0.44) | HPGDSIGMAR1MEN1KMT2ATRPA1 | |
| SCHEMBL5837980 | 0.79 | EPHX1 (0.43) | SIGMAR1TRPA1ADRA2BADRA2CSLC6A2 | |
| SCHEMBL8769837 | 0.79 | CTRB1 (0.48) | LMNAPSMB1PSMB5PSMB2 | |
| SCHEMBL14491043 | 0.79 | TRPA1 (0.56) | HPGDACESIGMAR1LMNAKMT2A | |
| SCHEMBL14491045 | 0.79 | TRPA1 (0.56) | HPGDACESIGMAR1LMNAKMT2A | |
| SCHEMBL7296822 | 0.79 | CYP1A2 (0.48) | HPGDMMESIGMAR1CYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994027955-A1 | INTERMEDIATES AND PROCESS OF MAKING DIPEPTIDE ISOSTERES | SMITHKLINE BEECHAM CORPORATION (US) | 1994-12-08 | — | — | WO | disclosed |